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3R43
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BU of 3r43 by Molmil
AKR1C3 complexed with mefenamic acid
Descriptor: 1,2-ETHANEDIOL, 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, Aldo-keto reductase family 1 member C3, ...
Authors:Squire, C.J, Teague, R.M, Yosaatmadja, L.
Deposit date:2011-03-17
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
5JCG
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BU of 5jcg by Molmil
Structure of Human Peroxiredoxin 3 as three stacked rings
Descriptor: Thioredoxin-dependent peroxide reductase, mitochondrial
Authors:Yewdall, N.A, Gerrard, J.A, Goldstone, D.C.
Deposit date:2016-04-15
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of Human Peroxiredoxin 3 Suggest Self-Chaperoning Assembly that Maintains Catalytic State.
Structure, 24, 2016
7A1F
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BU of 7a1f by Molmil
Crystal structure of human 5' exonuclease Appollo in complex with 5'dAMP
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 5' exonuclease Apollo, FE (III) ION, ...
Authors:Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-08-12
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
6NVH
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BU of 6nvh by Molmil
FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)acrylamide
Descriptor: Fibroblast growth factor receptor 4, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide, SULFATE ION
Authors:Lin, X, Smaill, J.B, Squire, C.J.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
6NVL
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BU of 6nvl by Molmil
FGFR1 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)acrylamide
Descriptor: Fibroblast growth factor receptor 1, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide, SULFATE ION
Authors:Lin, X, Smaill, J.B, Squire, C.J.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
6MZQ
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BU of 6mzq by Molmil
TAS-120 in reversible binding mode with FGFR1
Descriptor: 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Fibroblast growth factor receptor 1
Authors:Kalyukina, M, Squire, C.J.
Deposit date:2018-11-05
Release date:2019-01-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:TAS-120 Cancer Target Binding: Defining Reactivity and Revealing the First Fibroblast Growth Factor Receptor 1 (FGFR1) Irreversible Structure.
ChemMedChem, 14, 2019
6MZW
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BU of 6mzw by Molmil
TAS-120 covalent complex with FGFR1
Descriptor: 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Fibroblast growth factor receptor 1, SULFATE ION
Authors:Kalyukina, M, Squire, C.J.
Deposit date:2018-11-05
Release date:2019-01-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:TAS-120 Cancer Target Binding: Defining Reactivity and Revealing the First Fibroblast Growth Factor Receptor 1 (FGFR1) Irreversible Structure.
ChemMedChem, 14, 2019
7B2X
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BU of 7b2x by Molmil
Crystal structure of human 5' exonuclease Appollo H61Y variant
Descriptor: 5' exonuclease Apollo, NICKEL (II) ION
Authors:Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-11-28
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
7B9B
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BU of 7b9b by Molmil
Crystal structure of human 5' exonuclease Appollo APO form
Descriptor: 5' exonuclease Apollo, NICKEL (II) ION
Authors:Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-12-14
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
5UQ0
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BU of 5uq0 by Molmil
FGFR1 kinase domain complex with fragment 2,2-dimethyl-2,3-dihydrobenzofuran-7-carboxamide
Descriptor: 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide, Fibroblast growth factor receptor 1
Authors:Paik, W.-K, Squire, C.J.
Deposit date:2017-02-05
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment screening diverse active sites
To Be Published

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